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5-(4-METHYLSULFONYLPHENYL)-2-METHYL-4-PHENYL-4-ISOXAZOLINE
SpectraBase Compound ID 6HYLqXZUGoP
InChI InChI=1S/C17H17NO3S/c1-18-12-16(13-6-4-3-5-7-13)17(21-18)14-8-10-15(11-9-14)22(2,19)20/h3-11H,12H2,1-2H3
InChIKey SMUKUMHSWWRYQH-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C17H17NO3S
Exact Mass 315.092915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pcAtPNNy6L
Name 5-(4-METHYLSULFONYLPHENYL)-2-METHYL-4-PHENYL-4-ISOXAZOLINE
Compound Number 13H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H17NO3S
InChI InChI=1S/C17H17NO3S/c1-18-12-16(13-6-4-3-5-7-13)17(21-18)14-8-10-15(11-9-14)22(2,19)20/h3-11H,12H2,1-2H3
InChIKey SMUKUMHSWWRYQH-UHFFFAOYSA-N
Literature Reference Author A.G.HABEEB,P.N.P.RAO,E.E.KNAUS
Literature Reference Citation J.MED.CHEM.,44,2921(2001)
Literature Reference DOI 10.1021/jm0101287
Molecular Weight 315.387 g/mol
Sample ID 45070
Solvent CDCl3